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Geometry for CF3CH2F (1,1,1,2-tetrafluoroethane) 1A' CS

1910171554
InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2 INChIKey=LVGUZGTVOIAKKC-UHFFFAOYSA-N

B1B95/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3581 0.1906 0.0000   -0.4057 0.0043 0.0000
C2 -1.1498 0.2395 0.0000   0.8945 -0.7611 0.0000
F3 0.8348 1.4429 0.0000   -1.4240 -0.8666 0.0000
F4 0.8348 -0.4332 1.0770   -0.5252 0.7802 1.0770
F5 0.8348 -0.4332 -1.0770   -0.5252 0.7802 -1.0770
F6 -1.6473 -1.0331 0.0000   1.9409 0.1176 0.0000
H7 -1.4814 0.7646 0.8951   0.9339 -1.3809 0.8951
H8 -1.4814 0.7646 -0.8951   0.9339 -1.3809 -0.8951
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 H7 H8
C1 1.5087 1.3399 1.3327 1.3327 2.3494 2.1247 2.1247
C2 1.5087 2.3210 2.3560 2.3560 1.3664 1.0894 1.0894
F3 1.3399 2.3210 2.1633 2.1633 3.5059 2.5740 2.5740
F4 1.3327 2.3560 2.1633 2.1539 2.7714 2.6139 3.2693
F5 1.3327 2.3560 2.1633 2.1539 2.7714 3.2693 2.6139
F6 2.3494 1.3664 3.5059 2.7714 2.7714 2.0151 2.0151
H7 2.1247 1.0894 2.5740 2.6139 3.2693 2.0151 1.7901
H8 2.1247 1.0894 2.5740 3.2693 2.6139 2.0151 1.7901
Maximum atom distance is 3.5059Å between atoms F3 and F6.
picture of 1,1,1,2-tetrafluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F6 109.499 C2 C1 F3 108.982
C2 C1 F4 111.875 C2 C1 F5 111.875
F3 C1 F4 108.075 F3 C1 F5 108.075
F4 C1 F5 107.818
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.650 C1 C2 H8 108.650
F6 C2 H7 109.764 F6 C2 H8 109.764
H7 C2 H8 110.488

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.